5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine

C12H12F3N3 — CID 162543326

IUPAC5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
SMILESCC1CC=C(c2cnc(N)cn2)C=C1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-7-2-3-8(4-9(7)12(13,14)15)10-5-18-11(16)6-17-10/h3-7H,2H2,1H3,(H2,16,18)
InChIKeyOUVHPGKOJXDIEG-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.97
Rot. Bonds1

About 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine

5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine (PubChem CID 162543326) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
PubChem CID162543326
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
SMILESCC1CC=C(c2cnc(N)cn2)C=C1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-7-2-3-8(4-9(7)12(13,14)15)10-5-18-11(16)6-17-10/h3-7H,2H2,1H3,(H2,16,18)
InChIKeyOUVHPGKOJXDIEG-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
The IUPAC name of 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine (CID 162543326) is 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine is CC1CC=C(c2cnc(N)cn2)C=C1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
The InChIKey is OUVHPGKOJXDIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-2-3-8(4-9(7)12(13,14)15)10-5-18-11(16)6-17-10/h3-7H,2H2,1H3,(H2,16,18).
What are the key properties of 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine has a molecular weight of 255.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine is sourced from PubChem (CID 162543326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).